4-amino-5-fluoro-1-[(2S,5R)-3-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one

C9H10FN3O4 — CID 66841029

IUPAC4-amino-5-fluoro-1-[(2S,5R)-3-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
SMILESNc1nc(=O)n([C@H]2O[C@@H](CO)C=C2O)cc1F
InChIInChI=1S/C9H10FN3O4/c10-5-2-13(9(16)12-7(5)11)8-6(15)1-4(3-14)17-8/h1-2,4,8,14-15H,3H2,(H2,11,12,16)/t4-,8+/m1/s1
InChIKeySCZPQCHPKXGFOB-VHWMUFPASA-N
MW243.19 g/mol
LogP-0.70
Rot. Bonds2

About 4-amino-5-fluoro-1-[(2S,5R)-3-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one

4-amino-5-fluoro-1-[(2S,5R)-3-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one (PubChem CID 66841029) has the molecular formula C9H10FN3O4 and a molecular weight of 243.19 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-[(2S,5R)-3-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-[(2S,5R)-3-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
PubChem CID66841029
Molecular FormulaC9H10FN3O4
Molecular Weight243.19 g/mol
Exact Mass243.07
IUPAC Name4-amino-5-fluoro-1-[(2S,5R)-3-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
SMILESNc1nc(=O)n([C@H]2O[C@@H](CO)C=C2O)cc1F
InChIInChI=1S/C9H10FN3O4/c10-5-2-13(9(16)12-7(5)11)8-6(15)1-4(3-14)17-8/h1-2,4,8,14-15H,3H2,(H2,11,12,16)/t4-,8+/m1/s1
InChIKeySCZPQCHPKXGFOB-VHWMUFPASA-N
XLogP-0.70
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-5-fluoro-1-[(2R,4S,5R)-2-(hydroxymethyl)-5-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one
CID 11776614
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CID 23317943
4-amino-5-fluoro-1-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
CID 69266686
4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 15124185
4-amino-5-fluoro-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
CID 22858382
4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane
CID 160959975
4-amino-5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]pyrimidin-2-one
CID 137477470
4-amino-1-[(2R,3R,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
CID 57309584
4-amino-1-[(2R,3R,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one;hydrochloride
CID 70465932
4-amino-1-[(2R,4R)-3,3-difluoro-4-(hydroxymethyl)thietan-2-yl]-5-fluoropyrimidin-2-one
CID 11666171
(2R,3R,4S,5R)-2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-3-carbonitrile
CID 54260456
4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-[(2S,5R)-3-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-[(2S,5R)-3-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one (CID 66841029) is 4-amino-5-fluoro-1-[(2S,5R)-3-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-[(2S,5R)-3-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-[(2S,5R)-3-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one is Nc1nc(=O)n([C@H]2O[C@@H](CO)C=C2O)cc1F.
What is the InChIKey of 4-amino-5-fluoro-1-[(2S,5R)-3-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one?
The InChIKey is SCZPQCHPKXGFOB-VHWMUFPASA-N. The full InChI is InChI=1S/C9H10FN3O4/c10-5-2-13(9(16)12-7(5)11)8-6(15)1-4(3-14)17-8/h1-2,4,8,14-15H,3H2,(H2,11,12,16)/t4-,8+/m1/s1.
What are the key properties of 4-amino-5-fluoro-1-[(2S,5R)-3-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one?
4-amino-5-fluoro-1-[(2S,5R)-3-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one has a molecular weight of 243.19 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-[(2S,5R)-3-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one is sourced from PubChem (CID 66841029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).